(10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-3-ethenyl-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Systemtic Name: (10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-3-ethenyl-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone Openeye Name: (10S,13S,16S,19S)-13-isopropyl-10,11,14-trimethyl-16-[(1S)-1-methylpropyl]-3-vinyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone CAS Name: (10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-3-ethenyl-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone IUPAC Name: (10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-3-ethenyl-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone Traditional Name: (10S,13S,16S,19S)-13-isopropyl-10,11,14-trimethyl-16-[(1S)-1-methylpropyl]-3-vinyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-triquinone Formula: C28H45N5O7 MolecularWeight: 563.6862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)C=C)C)C)C(C)C)C

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)OC(C(=O)N2CCC[C@H]2C(=O)N1)C=C)C)C)C(C)C)C

InChI

InChI=1S/C28H45N5O7/c1-9-17(5)22-27(38)32(8)23(16(3)4)28(39)31(7)18(6)24(35)29-14-13-21(34)40-20(10-2)26(37)33-15-11-12-19(33)25(36)30-22/h10,16-20,22-23H,2,9,11-15H2,1,3-8H3,(H,29,35)(H,30,36)/t17-,18-,19-,20?,22-,23-/m0/s1